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CHEBI:58220 - N-adenylyl-L-phenylalanate(2−)

ChEBI IDCHEBI:58220
ChEBI NameN-adenylyl-L-phenylalanate(2−)
Stars
ASCII NameN-adenylyl-L-phenylalanate(2-)
DefinitionA doubly-charged α-amino-acid anion arising from deprotonation of the carboxy and phosphate groups of N-adenylyl-L-phenylalanine; major species at pH 7.3.
Last Modified9 May 2014
DownloadsMolfile
FormulaC19H21N6O8P
Net Charge-2
Average Mass492.385
Monoisotopic Mass492.11695
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])N[C@@H](Cc2ccccc2)C(=O)[O-])[C@@H](O)[C@H]1O
InChIInChI=1S/C19H23N6O8P/c20-16-13-17(22-8-21-16)25(9-23-13)18-15(27)14(26)12(33-18)7-32-34(30,31)24-11(19(28)29)6-10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,26-27H,6-7H2,(H,28,29)(H2,20,21,22)(H2,24,30,31)/p-2/t11-,12+,14+,15+,18+/m0/s1
InChIKeyOXCQKAQOLIIWJO-URQYDQELSA-L
ChEBI Ontology
Outgoing Relation(s)
N-adenylyl-L-phenylalanate(2−) (CHEBI:58220) is a organophosphate oxoanion (CHEBI:58945)
N-adenylyl-L-phenylalanate(2−) (CHEBI:58220) is a α-amino-acid anion (CHEBI:33558)
N-adenylyl-L-phenylalanate(2−) (CHEBI:58220) is conjugate base of N-adenylyl-L-phenylalanine (CHEBI:17648)
Incoming Relation(s)
N-adenylyl-L-phenylalanine (CHEBI:17648) is conjugate acid of N-adenylyl-L-phenylalanate(2−) (CHEBI:58220)
IUPAC Name 
5'-O-({[(1S)-1-carboxylato-2-phenylethyl]amino}phosphinato)adenosine
Synonyms  Source
N-adenylyl-L-phenylalanateChEBI
N-adenylyl-L-phenylalanate(2−)ChEBI
UniProt Name  Source
N-adenylyl-L-phenylalanineUniProt